5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-pyrazole-4-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O3/c1-14-19(20(22)25(24-14)13-15-6-3-2-4-7-15)21(26)23-16-8-9-17-18(12-16)28-11-5-10-27-17/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,26)